4072-2780 Screening compound: 2-(2-chlorophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

4072-2780 Screening compound: 2-(2-chlorophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
4072-2780 Screening compound: 2-(2-chlorophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4072-2780
2-(2-chlorophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4072-2780

Molecular Formula

C18H15ClN4S (C18 H15 ClN4 S)

Compound Name

2-(2-chlorophenyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

15-(2-chlorophenyl)-9-thia-11131416-tetraazatetracyclo[8.7.0.0^{28}.0^{1317}]heptadeca-1(10)2(8)111416-pentaene

SMILES

Clc(cccc1)c1-c1nn(cnc2c3c(CCCCC4)c4s2)c3n1

InChI

InChI=1S/C18H15ClN4S/c19-13-8-5-4-6-11(13)16-21-17-15-12-7-2-1-3-9-14(12)24-18(15)20-10-23(17)22-16/h4-6,8,10H,1-3,7,9H2

InChI Key

VTUNPRPXSDGZTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02920934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-5.23

Polar Surface Area

33.907

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4072-2780 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4072-2780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4072-2780?
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What is the minimum amount of 4072-2780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4072-2780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4072-2780
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4072-2780 available by request